SCHEMBL10253411

SCHEMBL10253411

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.78
CNR1 P21554 3/20 0.78
HPGDS O60760 1/20 0.71
PRKAB2 O43741 5/20 0.71
PRKAG1 P54619 5/20 0.71
PRKAA2 P54646 5/20 0.71
PRKAA1 Q13131 5/20 0.71
PRKAG3 Q9UGI9 5/20 0.71
PRKAG2 Q9UGJ0 5/20 0.71
PRKAB1 Q9Y478 5/20 0.71
NAMPT P43490 3/20 0.64
EPHX2 P34913 2/20 0.64
MAPT P10636 1/20 0.62
FAAH O00519 1/20 0.60
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TRPV1 Q8NER1 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10253402 0.94 CNR2 (0.88) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL10253415 0.89 CNR2 (0.80) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL10253329 0.88 CNR2 (0.79) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL10257721 0.88 CNR2 (1.00) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL4559682 0.87 MAPT (0.73) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL2677762 0.86 CNR2 (0.69) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL14306236 0.84 MAPT (0.69) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL13148217 0.84 ALDH1A1 (0.66) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL14934392 0.83 USP2 (0.68) CNR2CNR1HPGDSPRKAB2PRKAG1
SCHEMBL6153200 0.82 KMT2A (0.69) CNR2CNR1HPGDSNAMPTEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885HPGDS 198/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.